1-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid

C13H19F3N2O3 — CID 174178910

IUPAC1-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid
SMILESO=C1NC(C(F)(F)F)CN1C1(C(=O)O)CCCCCCC1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)9-8-18(11(21)17-9)12(10(19)20)6-4-2-1-3-5-7-12/h9H,1-8H2,(H,17,21)(H,19,20)
InChIKeyUALPWOVLLBBPIC-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.51
Rot. Bonds2

About 1-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid

1-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid (PubChem CID 174178910) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid
PubChem CID174178910
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name1-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid
SMILESO=C1NC(C(F)(F)F)CN1C1(C(=O)O)CCCCCCC1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)9-8-18(11(21)17-9)12(10(19)20)6-4-2-1-3-5-7-12/h9H,1-8H2,(H,17,21)(H,19,20)
InChIKeyUALPWOVLLBBPIC-UHFFFAOYSA-N
XLogP2.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2,2-Trifluoroethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 16794916
(2S)-6-amino-2-[[(2R)-3-cyclohexyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamoylamino]hexanoic acid;2,2,2-trifluoroacetic acid
CID 25159799
2-Cyclohexyl-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61606698
1-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 61606967
1-(3,3,3-Trifluoropropylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 63227688
2-(2,4-Dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetic acid
CID 81297442
1-(4,4,4-Trifluorobutan-2-ylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 105945221
1-(2,2-Difluoroethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 113303920
1-(4,4,4-Trifluorobutylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 115521365
4-(4,4-Difluorocyclohexyl)-2-oxoimidazolidine-4-carboxylic acid
CID 137938742
2-Oxo-4-[4-(trifluoromethyl)cyclohexyl]imidazolidine-4-carboxylic acid
CID 137941194
(2R)-2-cyclohexyl-2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]acetic acid
CID 166295540

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid (CID 174178910) is 1-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid is O=C1NC(C(F)(F)F)CN1C1(C(=O)O)CCCCCCC1.
What is the InChIKey of 1-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid?
The InChIKey is UALPWOVLLBBPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c14-13(15,16)9-8-18(11(21)17-9)12(10(19)20)6-4-2-1-3-5-7-12/h9H,1-8H2,(H,17,21)(H,19,20).
What are the key properties of 1-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid?
1-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid has a molecular weight of 308.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 174178910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).